(Q104948211)

English

[(3S,3'S,8R,9S,10R,13S,14S,17S)-3'-[(1S,2S,3R)-1-acetyloxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

1-[7-(acetyloxy)-3',9a,11a-trimethyl-2,3,3a,3b,4,6,7,8,9,9b,10,11-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-3'-yl]-2,3,4-trimethylpentyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3'R,8R,9R,10S,13R,14S,17S)-3'-[(1S,2S,3S)-1-acetyloxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₂O₅

0 references

canonical SMILES

O=C(OC1CC2=CCC3C(CCC4(C)C3CCC54OC5(C)C(OC(=O)C)C(C)C(C)C(C)C)C2(C)CC1)C

0 references

isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(O[C@@]5(C)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1

0 references

found in taxon

Sarcophyton crassocaule

2 references

stated in

Novel epoxy steroids from the indian ocean soft coral Sarcophyton crassocaule

stated in

A rare prostaglandin from the soft coral Sarcophyton crassocaule of the Indian Ocean

Identifiers

InChI

InChI=1S/C33H52O5/c1-19(2)20(3)21(4)29(37-23(6)35)32(9)33(38-32)17-14-28-26-11-10-24-18-25(36-22(5)34)12-15-30(24,7)27(26)13-16-31(28,33)8/h10,19-21,25-29H,11-18H2,1-9H3/t20-,21+,25+,26-,27+,28+,29+,30+,31+,32+,33+/m1/s1

0 references

InChIKey

BXRVOAVGZJVGNJ-JAWVTSFWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXRVOAVGZJVGNJ-JAWVTSFWSA-N

(Q104948211)

[(3S,3'S,8R,9S,10R,13S,14S,17S)-3'-[(1S,2S,3R)-1-acetyloxy-2,3,4-trimethylpentyl]-3',10,13-trimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxirane]-3-yl] acetate

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Identifiers

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